4-bromo-2,2,6,6-tetramethylpiperidine hydrobromide

• ChemBase ID: 178456
• Molecular Formular: C9H19Br2N
• Molecular Mass: 301.06186
• Monoisotopic Mass: 298.98842361
• SMILES: C1(CC(NC(C1)(C)C)(C)C)Br.Br
• Canonical SMILES: BrC1CC(C)(C)NC(C1)(C)C.Br
• InChI: InChI=1S/C9H18BrN.BrH/c1-8(2)5-7(10)6-9(3,4)11-8;/h7,11H,5-6H2,1-4H3;1H
• InChIKey: LBJKLHOXZFOJFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2,2,6,6-tetramethylpiperidine hydrobromide
• IUPAC Traditional name: 4-bromo-2,2,6,6-tetramethylpiperidine hydrobromide
• Synonyms: 4-Bromo-2,2,6,6-tetramethyl-piperidine Hydrobromide; 2,2,6,6-Tetramethyl-4-bromopiperidine, Hydrobromide

Database IDs

• CAS Number: 1920-00-9
• PubChem SID: 164234366
• PubChem CID: 71440672

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1273826
• LogD (pH = 7.4): -0.11525295
• Log P: 2.0595717
• Molar Refractivity: 52.5662 cm^3
• Polarizability: 20.739613 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Water
• Apperance: Off-White Solid
• Melting Point: >270°C Sublimation